| Dynamic Monte Carlo simulation of linear SAW polymer chain near a flat surface |
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| 作者姓名： | 黄建花 韩世钧 |
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| 作者单位： | Department of Applied Chemistry，Zhejiang Institute of Science and Technology，Department of Chemistry，Zhejiang University Hangzhou 310033，China，Hangzhou 310027，China |
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| 基金项目： | Project supported by Zhejiang Provincial Natural Science Foundation of China (No. 202030) and Scientific Research Fund ofZhejiang Provincial Education Department (No. 20020137) |
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| 摘 要： | INTRODUCTION The conformational property of polymerchains subject to a geometrical constraint is one of themost interesting topics in polymer science (Milner,1991; Malfreyt and Tildesley, 2000; Vacatello,2001). The geometrical constraint can be a solidsurface, a liquid/liquid interface, a vacuum/liquidinterface, etc. So the topic has many applications intechnology such as adsorption onto interface, sta-bilization of colloids and partition equilibrium ingel permeation chromatography…
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Dynamic Monte Carlo simulation of linear SAW polymer chain near a flat surface |
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| HUANG Jian-hua ,HAN Shi-jun.Dynamic Monte Carlo simulation of linear SAW polymer chain near a flat surface[J].Journal of Zhejiang University Science,2004(6). |
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| Authors: | HUANG Jian-hua HAN Shi-jun |
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| Institution: | HUANG Jian-hua 1,HAN Shi-jun 2 |
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| Abstract: | Investigation of the conformational properties of a SAW polymer chain near an impenetrable, non-interacting flat surface showed that the chain at first contracted and orientated itself to slightly parallel when it pulled close to the surface and at last elongated and reoriented itself to slightly perpendicular to the surface at very small distance from the surface. Simulation showed that most of the disappeared configurations were of large size at moderate distance from the surface while they were of small size at very small distance from the surface; and that the mean-square end-to-end distance was much more prone to be influenced by the surface than the mean-square radius of gyration . The orientational correlation between the direction of the longest principal axis of the moment of inertia and end-to-end vector was also discussed. |
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| Keywords: | Polymer Conformation Probability distribution Monte Carlo simulation |
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